N'-methyl-N'-pentyl-N-prop-2-ynylethane-1,2-diamine

C11H22N2 — CID 62559632

IUPACN'-methyl-N'-pentyl-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNCCN(C)CCCCC
InChIInChI=1S/C11H22N2/c1-4-6-7-10-13(3)11-9-12-8-5-2/h2,12H,4,6-11H2,1,3H3
InChIKeyKVRJSSKXOXFBQE-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.33
Rot. Bonds8

About N'-methyl-N'-pentyl-N-prop-2-ynylethane-1,2-diamine

N'-methyl-N'-pentyl-N-prop-2-ynylethane-1,2-diamine (PubChem CID 62559632) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N'-methyl-N'-pentyl-N-prop-2-ynylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-pentyl-N-prop-2-ynylethane-1,2-diamine
PubChem CID62559632
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN'-methyl-N'-pentyl-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNCCN(C)CCCCC
InChIInChI=1S/C11H22N2/c1-4-6-7-10-13(3)11-9-12-8-5-2/h2,12H,4,6-11H2,1,3H3
InChIKeyKVRJSSKXOXFBQE-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N'-decyl-N-ethyl-N'-methylethane-1,2-diamine
CID 63526975
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-prop-2-ynylethane-1,2-diamine
CID 63726172
N-methyl-N'-[2-[methyl(pentyl)amino]ethyl]ethane-1,2-diamine
CID 90738299
N',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine
CID 62560197
N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine
CID 170176029
N'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62591894
N'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine
CID 63527329
N'-heptyl-N,N'-dimethylethane-1,2-diamine
CID 43374401
N-methyl-N-prop-2-ynylhexan-1-amine
CID 21191548
N-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine
CID 61386627
N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine
CID 61386626
N'-heptadecyl-N,N'-dimethylethane-1,2-diamine
CID 23574295

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-pentyl-N-prop-2-ynylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-pentyl-N-prop-2-ynylethane-1,2-diamine (CID 62559632) is N'-methyl-N'-pentyl-N-prop-2-ynylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-pentyl-N-prop-2-ynylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-pentyl-N-prop-2-ynylethane-1,2-diamine is C#CCNCCN(C)CCCCC.
What is the InChIKey of N'-methyl-N'-pentyl-N-prop-2-ynylethane-1,2-diamine?
The InChIKey is KVRJSSKXOXFBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-6-7-10-13(3)11-9-12-8-5-2/h2,12H,4,6-11H2,1,3H3.
What are the key properties of N'-methyl-N'-pentyl-N-prop-2-ynylethane-1,2-diamine?
N'-methyl-N'-pentyl-N-prop-2-ynylethane-1,2-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-pentyl-N-prop-2-ynylethane-1,2-diamine is sourced from PubChem (CID 62559632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).